1. Parameters regression using simplex algorithm. In this case, the related function is the two-Yukawa equation of state for osmotic pressure calculations. download

2. Monte Carlo simulations for Yukawa fluid. download

3. Solving integral equations numerically for multi-component solution where both short and long distance interactions are included. download

4. Parameters regression using constrained minimization method. In this case, the related function is the LIQUAC model for mixed-solvent electrolyte solution. download

5. Computation of density profile of small molecules adsorpted on solid surface using quenched solid density functional theory (QSDFT). download

6. One dimensional evolution using fast Fourier transformation method based on atomic density functional theory. View

7. Accelerated molecular dynamics simulations. download

8. Climb-image nudged elastic band calculations. download

9. Saddle points searching using dimer-similar method. download

10. Superbasin kinetic Monte Carlo simulation for adatom diffusion on surface. download

11. Crystal coordinates transformation btween "direct" and "cartesian". download

12. Generation of input files for frozen calculations along the direction of negative vibrational frequency. download

13. Suduko solver (download) — An application for solving sudoku problems.

14. Uniform and Gaussian distribution random generator.View